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5-methylimidazo[1,2-a]pyridine-2-carboxylic acid dihydrate

5-methylimidazo[1,2-a]pyridine-2-carboxylic acid dihydrate

CAS: 1185540-04-8

Formula: C9H12N2O4

SMILES: O.O.CC1=CC=CC2=NC(=CN12)C(O)=O

IUPAC: 5-methylimidazo[1,2-a]pyridine-2-carboxylic acid dihydrate

InChI: InChI=1S/C9H8N2O2.2H2O/c1-6-3-2-4-8-10-7(9(12)13)5-11(6)8;;/h2-5H,1H3,(H,12,13);2*1H2

Composition: C (50.94%), H (5.70%), N (13.20%), O (30.16%)

Molar Mass: 212.205

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 212.079706874
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JWVNVRAXVXCKMQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.97
Topological Polar Surface Area 54.6
Polarizability 17.41
Ring Count 2
Rotatable Bond Count 1

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